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isopropyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EU7Rr7mZ1Rz
InChI InChI=1S/C28H31ClN6O3S2/c1-15(2)38-27(37)22-19-8-6-7-9-20(19)40-26(22)30-21(36)14-39-28-32-31-25(24-23(29)17(4)33-34(24)5)35(28)18-12-10-16(3)11-13-18/h10-13,15H,6-9,14H2,1-5H3,(H,30,36)
InChIKey NDGCURMXRAUHBR-UHFFFAOYSA-N
Mol Weight 599.17 g/mol
Molecular Formula C28H31ClN6O3S2
Exact Mass 598.158759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3u3i1AnI8Vk
Name isopropyl 2-[({[5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H31ClN6O3S2/c1-15(2)38-27(37)22-19-8-6-7-9-20(19)40-26(22)30-21(36)14-39-28-32-31-25(24-23(29)17(4)33-34(24)5)35(28)18-12-10-16(3)11-13-18/h10-13,15H,6-9,14H2,1-5H3,(H,30,36)
InChIKey NDGCURMXRAUHBR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11438
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1030063; Labnumber: NIV1264; UZI_ID: UZI-011440
Temperature 308 °C